SCHEMBL617761

SCHEMBL617761

COc1cc(OC)c2cnc(-c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
KCNH2 Q12809 1/20 0.48
GHSR Q92847 10/20 0.44
FGFR1 P11362 4/20 0.42
KDR P35968 2/20 0.42
FGFR4 P22455 1/20 0.42
KHK P50053 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PDGFRB P09619 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PDGFRA P16234 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30459652 0.84 TGFBR1 (0.54) TGFBR1ACVR1KCNH2DDR1MAP4K1
SCHEMBL15328156 0.84 TGFBR1 (0.54) TGFBR1ACVR1KCNH2DDR1MAP4K1
SCHEMBL1304918 0.82 MTOR (0.52) TGFBR1ACVR1KDRKDM4EALDH1A1
SCHEMBL15328365 0.80 CHRNB2 (0.51) TGFBR1ACVR1MAP4K1
SCHEMBL1304390 0.79 PDGFRB (0.51) MAOAMAOBPDGFRBKDM4EMEN1
SCHEMBL616991 0.79 SUV39H2 (0.42) PDGFRBPDGFRANTSR1
SCHEMBL615975 0.77 EHMT2 (0.40) TGFBR1FGFR1KDRFGFR4PDGFRB
SCHEMBL618561 0.77 MAP4K1 (0.49) TGFBR1ACVR1FGFR1KDRFGFR4
SCHEMBL346309 0.76 PDGFRB (0.50) KDRPDGFRBKDM4EMEN1ALDH1A1
SCHEMBL15533402 0.76 ALDH1A1 (0.48) MAOAMAOBPDGFRBKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TGFBR1 699/4885ACVR1 2523/4885KCNH2 3043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.